(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate

C19H21NO3 — CID 160928096

IUPAC(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
SMILESCC(CCC(=O)Cc1ccccc1)OC(=O)Nc1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(23-19(22)20-17-10-6-3-7-11-17)12-13-18(21)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)
InChIKeyYBQGUZVQBFKQGL-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.22
Rot. Bonds7

About (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate

(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate (PubChem CID 160928096) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
PubChem CID160928096
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
SMILESCC(CCC(=O)Cc1ccccc1)OC(=O)Nc1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(23-19(22)20-17-10-6-3-7-11-17)12-13-18(21)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)
InChIKeyYBQGUZVQBFKQGL-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
6-amino-5-methyl-1-phenylhexan-2-one
CID 116607418
1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate
CID 10806174
1-(phenylcarbamoyloxy)propan-2-yl 3-methyl-4-[1-(2-phenylacetyl)oxypropan-2-yloxycarbonylamino]butanoate
CID 158604794
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
3-methylbutyl N-phenylcarbamate
CID 69480810
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
2,3-bis(phenylcarbamoyloxy)propyl N-phenylcarbamate;1-(phenylcarbamoyloxy)propan-2-yl 3-methyl-4-[1-(2-phenylacetyl)oxypropan-2-yloxycarbonylamino]butanoate
CID 158604793
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-phenylacetamide
CID 93090514
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
1-(4-ethylphenyl)-5-methoxyhexan-2-one
CID 105081808

Frequently Asked Questions

What is the IUPAC name of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
The IUPAC name of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate (CID 160928096) is (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate.
What is the SMILES notation for (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
The canonical SMILES for (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate is CC(CCC(=O)Cc1ccccc1)OC(=O)Nc1ccccc1.
What is the InChIKey of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
The InChIKey is YBQGUZVQBFKQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15(23-19(22)20-17-10-6-3-7-11-17)12-13-18(21)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22).
What are the key properties of (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate?
(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate has a molecular weight of 311.38 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate is sourced from PubChem (CID 160928096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).